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openforcefield
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interchange-regression-testing
Regression testing Interchange's OpenMM export against the OpenFF Toolkit
MIT License
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Possible regression in torsion assignment within WBO tests
#15
mattwthompson
opened
2 years ago
0
Add virtual site tests to existing OpenMM parity framework
#14
mattwthompson
closed
2 years ago
0
Failing molecules afer #1276
#13
mattwthompson
opened
2 years ago
12
Possible regression in partial charge assignment
#12
mattwthompson
closed
2 years ago
7
Inconsistent test results
#11
mattwthompson
closed
2 years ago
8
Avoid creating when the output file exists
#10
mattwthompson
closed
2 years ago
0
Generalize and clean-up regression tests
#9
SimonBoothroyd
closed
2 years ago
0
Value propagation tests
#8
mattwthompson
closed
2 years ago
0
`ParameterHandler` information content pairty
#7
mattwthompson
closed
2 years ago
0
Virtual site regression tests
#6
mattwthompson
closed
2 years ago
0
WBO bond and torsion regression tests
#5
mattwthompson
closed
2 years ago
0
Condensed-phase regression tests
#4
mattwthompson
closed
2 years ago
0
Single-molecule regression tests
#3
mattwthompson
closed
2 years ago
0
Snapshot 2
#2
mattwthompson
closed
2 years ago
0
Snapshot 1
#1
mattwthompson
closed
2 years ago
1